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Information card for entry 2021552
Preview
| Coordinates | 2021552.cif |
|---|---|
| Structure factors | 2021552.hkl |
| Original IUCr paper | HTML |
| Chemical name | Poly[[bis{μ~2~-4-amino-3-(pyridin-2-yl)-5-[(pyridin-3-ylmethyl)sulfanyl]-1,2,4-triazole}copper(II)] bis(methanesulfonate) tetrahydrate] |
|---|---|
| Formula | C28 H38 Cu N12 O10 S4 |
| Calculated formula | C28 H38 Cu N12 O10 S4 |
| Title of publication | The effect of the coordination orientation of N atoms on polymeric structures: synthesis and characterization of one- and two-dimensional Cu^II^ coordination polymers based on 4-amino-3-(pyridin-2-yl)-5-[(pyridin-3-ylmethyl)sulfanyl]-1,2,4-triazole |
| Authors of publication | Zhu, Guiying; Lu, Yang; Jin, Guoxia; Ji, Xuan; Ma, Jianping |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2019 |
| Journal volume | 75 |
| Journal issue | 4 |
| Pages of publication | 443 - 450 |
| a | 9.1819 ± 0.0004 Å |
| b | 18.0782 ± 0.0007 Å |
| c | 11.7932 ± 0.0005 Å |
| α | 90° |
| β | 102.977 ± 0.004° |
| γ | 90° |
| Cell volume | 1907.58 ± 0.14 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0557 |
| Residual factor for significantly intense reflections | 0.0422 |
| Weighted residual factors for significantly intense reflections | 0.1276 |
| Weighted residual factors for all reflections included in the refinement | 0.1433 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.119 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 214917 (current) | 2019-05-03 | cif/ Updating files of 2021552, 2021553, 2021554 Original log message: Adding full bibliography for 2021552--2021554.cif. |
2021552.cif 2021552.hkl |
| 214338 | 2019-03-26 | cif/ hkl/ Adding structures of 2021552, 2021553, 2021554 via cif-deposit CGI script. |
2021552.cif 2021552.hkl |
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Users of the data should acknowledge the original authors of the
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